5-tert-butyl-2-propan-2-ylpyridazin-3-one

C11H18N2O — CID 176827758

IUPAC5-tert-butyl-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(C(C)(C)C)cc1=O
InChIInChI=1S/C11H18N2O/c1-8(2)13-10(14)6-9(7-12-13)11(3,4)5/h6-8H,1-5H3
InChIKeyQSEWNJOJMGJNRR-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.12
Rot. Bonds1

About 5-tert-butyl-2-propan-2-ylpyridazin-3-one

5-tert-butyl-2-propan-2-ylpyridazin-3-one (PubChem CID 176827758) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-tert-butyl-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name5-tert-butyl-2-propan-2-ylpyridazin-3-one
PubChem CID176827758
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-tert-butyl-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(C(C)(C)C)cc1=O
InChIInChI=1S/C11H18N2O/c1-8(2)13-10(14)6-9(7-12-13)11(3,4)5/h6-8H,1-5H3
InChIKeyQSEWNJOJMGJNRR-UHFFFAOYSA-N
XLogP2.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one
CID 176827802
2-Methyl-5-propan-2-ylpyridazin-3-one
CID 12864814
4,5-Ditert-butyl-2-propylpyridazin-3-one
CID 23552383
5-Tert-butyl-2-methylpyridazin-3-one
CID 59549204
6-Tert-butyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 59802747
2,5-Ditert-butylpyridazin-3-one
CID 60052312
2,4-Di(propan-2-yl)pyridazin-3-one
CID 60102693
4-Tert-butyl-2-ethylpyridazin-3-one
CID 123914160
5-Methyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 125451803
5-Ethyl-2-methylpyridazin-3-one
CID 126553938
5-(2,2-Dimethylpropyl)-2-methylpyridazin-3-one
CID 130469746
4-Tert-butyl-2-propan-2-ylpyridazin-3-one
CID 132238921

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 5-tert-butyl-2-propan-2-ylpyridazin-3-one (CID 176827758) is 5-tert-butyl-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 5-tert-butyl-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 5-tert-butyl-2-propan-2-ylpyridazin-3-one is CC(C)n1ncc(C(C)(C)C)cc1=O.
What is the InChIKey of 5-tert-butyl-2-propan-2-ylpyridazin-3-one?
The InChIKey is QSEWNJOJMGJNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)13-10(14)6-9(7-12-13)11(3,4)5/h6-8H,1-5H3.
What are the key properties of 5-tert-butyl-2-propan-2-ylpyridazin-3-one?
5-tert-butyl-2-propan-2-ylpyridazin-3-one has a molecular weight of 194.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 176827758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).